4-[2-amino-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide

C16H16N6O — CID 68883605

IUPAC4-[2-amino-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2cccc(-c3nn[nH]n3)c2N)cc1
InChIInChI=1S/C16H16N6O/c1-22(2)16(23)11-8-6-10(7-9-11)12-4-3-5-13(14(12)17)15-18-20-21-19-15/h3-9H,17H2,1-2H3,(H,18,19,20,21)
InChIKeyPAPFTMWGYAXQTF-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.82
Rot. Bonds3

About 4-[2-amino-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide

4-[2-amino-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide (PubChem CID 68883605) has the molecular formula C16H16N6O and a molecular weight of 308.35 g/mol. Its IUPAC name is 4-[2-amino-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[2-amino-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide
PubChem CID68883605
Molecular FormulaC16H16N6O
Molecular Weight308.35 g/mol
Exact Mass308.14
IUPAC Name4-[2-amino-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2cccc(-c3nn[nH]n3)c2N)cc1
InChIInChI=1S/C16H16N6O/c1-22(2)16(23)11-8-6-10(7-9-11)12-4-3-5-13(14(12)17)15-18-20-21-19-15/h3-9H,17H2,1-2H3,(H,18,19,20,21)
InChIKeyPAPFTMWGYAXQTF-UHFFFAOYSA-N
XLogP1.82
TPSA100.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[4-(dimethylcarbamoyl)phenyl]-6-(2H-tetrazol-5-yl)benzamide
CID 173223106
4-[4-[(4-methoxyphenyl)carbamoylamino]-2-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide
CID 11853644
N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2H-tetrazol-5-yl)benzamide
CID 79384598
4-[4-[(4-methoxyphenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide
CID 11619480
(4-methylphenyl)-[2-(2H-tetrazol-5-yl)phenyl]methanone
CID 19791942
3-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]carbamoyl]benzoic acid
CID 54108331
1,3-dibutyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]urea
CID 68516464
4-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide
CID 138743833
2-(2H-tetrazol-5-yl)benzoic acid
CID 555192
4-(2H-tetrazol-5-yl)benzohydrazide
CID 43091169
2-[methyl-[[4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]acetic acid
CID 118266555
N-methyl-N-[2-[2-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]benzamide
CID 174420551

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[2-amino-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide (CID 68883605) is 4-[2-amino-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[2-amino-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[2-amino-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(-c2cccc(-c3nn[nH]n3)c2N)cc1.
What is the InChIKey of 4-[2-amino-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide?
The InChIKey is PAPFTMWGYAXQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c1-22(2)16(23)11-8-6-10(7-9-11)12-4-3-5-13(14(12)17)15-18-20-21-19-15/h3-9H,17H2,1-2H3,(H,18,19,20,21).
What are the key properties of 4-[2-amino-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide?
4-[2-amino-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide has a molecular weight of 308.35 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 68883605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).